SCHEMBL21157403

SCHEMBL21157403

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C12CC3(C)CC(O)(CC(O)(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
CTSK P43235 3/20 0.31
CYP2D6 P10635 1/20 0.31
CTSL P07711 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21746352 0.97 DPP4 (0.37) DPP4CA12CA14CA1CA2
SCHEMBL21156215 0.90 DPP4 (0.31) DPP4CA12CA14KMT2A
SCHEMBL24025126 0.85 DPP4 (0.38) DPP4CA1CA2CA7KMT2A
SCHEMBL8301768 0.85 DPP4 (0.38) DPP4CA1CA2CA7KMT2A
SCHEMBL21156214 0.82 ALDH1A1 (0.40) DPP4CA12CA14CA1CA2
SCHEMBL21157400 0.78 ALDH1A1 (0.45) DPP4ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL21746351 0.73 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL8282023 0.73 CA12 (0.38) CA12CA14CA1CA2CA7
SCHEMBL21746349 0.72 KMT2A (0.35) CA1CA2CA7KMT2ACTSK
SCHEMBL19747242 0.71 CA12 (0.37) CA12CA14CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 US disclosed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO DPP4 421/4885CA12 3715/4885CA14 2653/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 DPP4 402/4885CA12 3871/4885CA14 2816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.